SCHEMBL324819

SCHEMBL324819

CCCCCCCCc1c2c(c(CCCCCCCC)c3c1=C(c1ccc(Br)cc1)C(=O)O3)=C(c1ccc(Br)cc1)C(=O)O2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.37
CNR1 P21554 1/20 0.35
GPR35 Q9HC97 4/20 0.33
GPR84 Q9NQS5 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15092789 0.88 HDAC3 (0.34) CNR1TP53MAPT
SCHEMBL323496 0.68 ESR1 (0.37) CYP1A1CNR1ALDH1A1
SCHEMBL31270913 0.66 HSD17B10 (0.61) NPC1NFKB1MAPK1RAB9ANFKB2
SCHEMBL10455067 0.66 HSD17B10 (0.61) NPC1NFKB1MAPK1RAB9ANFKB2
SCHEMBL4908685 0.66 HSD17B10 (0.61) NPC1NFKB1MAPK1RAB9ANFKB2
SCHEMBL22989786 0.66 HSD17B10 (0.61) NPC1NFKB1MAPK1RAB9ANFKB2
SCHEMBL10528231 0.66 HSD17B10 (0.61) NPC1NFKB1MAPK1RAB9ANFKB2
SCHEMBL571569 0.66 MEN1 (0.44) NPC1MAPK1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8607022 0.66 HSD17B10 (0.61) NPC1NFKB1MAPK1RAB9ANFKB2
SCHEMBL26226733 0.66 HSD17B10 (0.61) NPC1NFKB1MAPK1RAB9ANFKB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9287504-B2 Semiconducting polymers MERCK PATENT GMBH (DE) 2016-03-15 US disclosed
US-9287504-B2 Semiconducting polymers MERCK PATENT GMBH (DE) 2016-03-15 US disclosed
EP-2591038-B1 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2014-11-05 EP disclosed
US-20130175481-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US disclosed
US-20130175481-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US disclosed
EP-2591038-A1 SEMICONDUCTING POLYMERS Merck Patent GmbH (DE) 2013-05-15 EP disclosed
WO-2012003918-A1 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2012-01-12 WO disclosed
WO-2012003918-A1 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2012-01-12 WO disclosed